Construction and assessment of models of CYP2E1: Predictions of metabolism from docking, molecular dynamics, and density functional theoretical calculations

Journal of Medicinal Chemistry

Volumn 46, Issue 9, 2003, Pages 1645-1660

  Park, Jin Young ^a   Harris, Dan ^a  

^a MOLECULAR RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

4 NITROPHENOL; CAFFEINE; CHLORZOXAZONE; CYTOCHROME P450; CYTOCHROME P450 2E1; DIMETHYLNITROSAMINE; LIGAND; METHOXYFLURANE; NITROSAMINE; PARACETAMOL; THEOPHYLLINE;

ARTICLE; BINDING SITE; CALCULATION; DENSITY; ENERGY; ENERGY TRANSFER; METABOLISM; METABOLITE; MODEL; MOLECULAR DYNAMICS;

AMINO ACID SEQUENCE; ANIMALS; BACTERIA; BINDING SITES; CHLORZOXAZONE; CYTOCHROME P-450 CYP2E1; DIMETHYLNITROSAMINE; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; NITROPHENOLS; QUANTUM THEORY; RABBITS; STRUCTURE-ACTIVITY RELATIONSHIP; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 0037464481     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm020538a     Document Type: Article

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